data_3k3d_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 3k3d _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 5' ' ' MSE . . . . . . . . . . . . . 65.8 ttp . . . . . 0 N--CA 1.499 1.986 0 N-CA-C 111.622 0.231 . . . . 62.380000000000003 111.622 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -83.21 105.12 13.92 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 106.436 -1.69 . . . . 63.539999999999999 106.436 171.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -59.08 -41.79 88.86 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.574 1.324 . . . . 55.729999999999997 114.574 -175.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -59.34 -35.81 74.55 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.159 0.429 . . . . 56.350000000000001 112.159 178.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -88.35 -29.16 20.5 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.555 0.946 . . . . 57.789999999999999 113.555 -176.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.6 p -104.15 -32.02 9.36 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 113.274 0.842 . . . . 56.829999999999998 113.274 -172.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.8 t -102.21 -51.58 9.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 108.424 -0.954 . . . . 53.670000000000002 108.424 176.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.59 163.78 9.79 Favored Glycine 0 C--N 1.334 0.449 0 N-CA-C 110.016 -1.234 . . . . 56.130000000000003 110.016 -175.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.45 144.2 54.77 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 108.737 -0.838 . . . . 57.539999999999999 108.737 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.47 -42.81 83.32 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.271 0.471 . . . . 58.0 112.271 -167.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -62.67 -40.33 96.72 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.831 0.678 . . . . 61.140000000000001 112.831 179.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -70.29 -45.71 65.77 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.077 -0.965 . . . . 63.420000000000002 108.836 -176.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.0 t -60.21 -43.82 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.05 0 O-C-N 123.926 0.766 . . . . 57.719999999999999 111.751 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -57.43 -45.58 84.52 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 119.372 -0.347 . . . . 57.43 111.838 176.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.2 ttp-105 -60.02 -38.54 83.01 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.634 0.374 . . . . 58.490000000000002 111.786 178.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.2 mm -69.62 -48.84 63.35 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 CA-C-O 119.503 -0.284 . . . . 58.359999999999999 110.918 176.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -47.8 -55.72 9.05 Favored 'General case' 0 C--O 1.243 0.736 0 C-N-CA 123.133 0.573 . . . . 56.649999999999999 111.476 173.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -44.62 -37.47 3.65 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.239 0.829 . . . . 58.539999999999999 113.239 176.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -101.98 -2.33 29.92 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 115.069 1.507 . . . . 57.640000000000001 115.069 -171.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.4 mm -56.62 132.94 77.85 Favored Pre-proline 0 C--O 1.241 0.635 0 C-N-CA 119.996 -0.682 . . . . 57.119999999999997 109.452 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -82.48 65.87 8.19 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 116.323 -1.984 . . . . 56.75 112.457 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -166.56 147.59 6.22 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.254 -1.387 . . . . 55.880000000000003 107.254 174.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.1 mt -68.5 117.9 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 109.414 -0.587 . . . . 54.359999999999999 109.414 177.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.44 136.71 53.0 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.278 -0.874 . . . . 54.579999999999998 108.851 -176.291 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -149.21 138.54 15.62 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.515 0 CA-C-N 116.045 -0.525 . . . . 56.549999999999997 110.86 179.148 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -119.57 139.28 13.94 Favored Glycine 0 C--N 1.338 0.663 0 N-CA-C 109.105 -1.598 . . . . 54.460000000000001 109.105 177.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . 0.539 ' O ' ' NH2' ' A' ' 113' ' ' ARG . 20.9 mt -126.43 154.37 43.75 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.91 0.355 . . . . 52.700000000000003 110.201 -179.28 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -133.58 143.43 48.67 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.597 -0.441 . . . . 73.359999999999999 110.838 -179.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.16 174.94 46.31 Favored Glycine 0 C--N 1.331 0.256 0 CA-C-N 116.083 -0.508 . . . . 54.609999999999999 113.803 172.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -63.77 -32.68 67.36 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 120.732 0.954 . . . . 56.25 113.939 179.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -86.72 10.97 14.14 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.909 1.078 . . . . 57.240000000000002 113.909 -178.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 49.76 58.23 5.66 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.235 1.014 . . . . 51.719999999999999 113.187 176.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -77.13 135.63 38.57 Favored 'General case' 0 CA--C 1.496 -1.127 0 N-CA-C 107.672 -1.233 . . . . 54.549999999999997 107.672 -179.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -65.0 128.84 37.44 Favored 'General case' 0 CA--C 1.512 -0.519 0 O-C-N 123.925 0.766 . . . . 53.340000000000003 110.334 178.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.6 m -120.73 -22.5 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 113.837 1.051 . . . . 56.090000000000003 113.837 174.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -153.31 126.98 8.77 Favored 'General case' 0 CA--C 1.505 -0.786 0 N-CA-C 108.829 -0.804 . . . . 54.149999999999999 108.829 -178.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.0 m -141.28 144.42 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 O-C-N 123.925 0.765 . . . . 54.649999999999999 110.139 170.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.2 p-10 -105.7 -178.57 3.69 Favored 'General case' 0 N--CA 1.424 -1.736 0 C-N-CA 119.735 -0.786 . . . . 52.32 111.9 -176.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.29 -35.97 82.64 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 112.942 0.719 . . . . 50.609999999999999 112.942 -177.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.09 79.82 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 108.783 -0.821 . . . . 51.5 108.783 178.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -61.56 -52.41 64.54 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 120.18 -0.608 . . . . 57.490000000000002 112.015 173.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.9 mtm-85 -67.29 -19.26 65.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.037 0.384 . . . . 54.890000000000001 112.037 -174.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.82 -31.53 29.21 Favored Glycine 0 N--CA 1.466 0.634 0 N-CA-C 110.692 -0.963 . . . . 59.210000000000001 110.692 174.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.31 -40.81 73.98 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.14 0.976 . . . . 66.340000000000003 111.395 176.21 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.9 t -127.25 86.95 57.55 Favored Pre-proline 0 C--O 1.238 0.469 0 CA-C-N 116.076 -0.511 . . . . 67.329999999999998 109.854 173.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -71.7 -21.04 25.8 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 123.454 2.769 . . . . 70.319999999999993 115.011 -177.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.7 mt -74.52 90.28 2.22 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-O 121.026 0.441 . . . . 73.670000000000002 109.887 177.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 pp -157.09 143.14 17.87 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 117.755 2.502 . . . . 75.299999999999997 117.755 -166.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . 0.348 0.2 OUTLIER -153.07 91.11 1.5 Allowed 'General case' 0 C--O 1.24 0.596 0 CA-C-N 113.686 -1.597 . . . . 80.239999999999995 110.568 127.539 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.87 -31.53 13.66 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 111.6 -2.546 . . . . 71.829999999999998 115.253 -145.501 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 91.2 t -61.94 124.52 16.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 O-C-N 123.503 0.502 . . . . 68.689999999999998 111.276 -170.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.02 -15.96 43.31 Favored Glycine 0 CA--C 1.521 0.434 0 CA-C-N 115.574 -0.739 . . . . 65.349999999999994 114.425 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -104.71 146.27 32.3 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 113.02 0.748 . . . . 68.840000000000003 113.02 -170.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -63.59 141.85 81.61 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 120.984 1.123 . . . . 61.509999999999998 110.855 174.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.44 -42.22 77.74 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 112.705 0.631 . . . . 61.259999999999998 112.705 -178.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -57.37 -37.36 72.5 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.297 0.851 . . . . 66.829999999999998 113.297 174.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -73.02 -28.11 62.16 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.945 1.091 . . . . 63.659999999999997 113.945 -175.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.7 p -97.25 -28.04 3.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 120.564 0.221 . . . . 63.450000000000003 111.508 179.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -120.49 76.77 26.54 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 116.478 -0.328 . . . . 63.560000000000002 111.689 173.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -70.96 -17.63 31.98 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 121.179 1.253 . . . . 64.640000000000001 113.977 -175.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.49 -11.72 55.6 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.934 0.716 . . . . 67.430000000000007 112.934 -173.258 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.32 15.33 12.28 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 114.793 1.405 . . . . 67.590000000000003 114.793 -173.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.59 -42.78 86.42 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.516 0.562 . . . . 66.859999999999999 112.516 -179.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.23 -35.75 88.74 Favored Glycine 0 N--CA 1.464 0.5 0 N-CA-C 115.231 0.852 . . . . 66.349999999999994 115.231 -179.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -67.19 -20.4 65.71 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 122.981 0.512 . . . . 67.930000000000007 111.964 -178.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLN . . . . . 0.41 ' NE2' ' CA ' ' A' ' 70' ' ' GLN 0.262 0.7 OUTLIER 48.38 50.22 16.94 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 116.236 1.939 . . . . 65.060000000000002 116.236 -175.512 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 12.1 mt -67.94 -30.7 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 N-CA-C 106.197 -1.779 . . . . 67.469999999999999 106.197 160.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -71.98 -28.73 63.61 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.656 1.354 . . . . 63.770000000000003 114.656 -178.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.95 -43.67 95.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.132 0.491 . . . . 62.18 109.829 174.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' MSE . . . . . . . . . . . . . 16.2 tmm? -70.2 -38.46 75.33 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 114.821 -1.081 . . . . 67.290000000000006 111.641 -177.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 70.4 mt -66.07 -39.76 90.32 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 112.287 0.476 . . . . 55.759999999999998 112.287 175.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -64.2 -44.42 92.01 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.228 0.611 . . . . 58.189999999999998 111.787 176.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -56.69 -46.54 81.11 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 111.714 0.264 . . . . 76.0 111.714 175.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.14 -41.87 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-O 121.113 0.483 . . . . 52.350000000000001 111.807 178.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -70.89 -41.32 71.47 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.958 -0.565 . . . . 56.030000000000001 110.918 -179.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -73.19 -42.14 63.03 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.279 0.844 . . . . 60.270000000000003 113.279 -178.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.1 p -99.59 -25.84 14.28 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 114.131 1.16 . . . . 56.189999999999998 114.131 -168.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.47 -2.03 79.55 Favored Glycine 0 CA--C 1.523 0.538 0 C-N-CA 120.824 -0.703 . . . . 55.399999999999999 114.474 -171.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -79.71 122.4 83.5 Favored Pre-proline 0 C--O 1.219 -0.525 0 N-CA-C 109.687 -0.486 . . . . 64.319999999999993 109.687 177.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -69.05 148.32 69.41 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 121.235 1.29 . . . . 57.289999999999999 110.677 176.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -124.79 140.25 53.1 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.253 0.549 . . . . 72.430000000000007 112.232 171.62 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.9 m -117.12 143.48 45.76 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 124.726 1.211 . . . . 63.859999999999999 108.109 172.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.52 153.43 21.02 Favored Glycine 0 CA--C 1.504 -0.6 0 N-CA-C 109.574 -1.41 . . . . 57.549999999999997 109.574 178.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.44 133.71 54.61 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 109.464 -0.569 . . . . 58.829999999999998 109.464 175.946 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 54.66 42.54 31.18 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.042 0.756 . . . . 56.140000000000001 113.042 166.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -72.44 123.63 23.49 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 107.511 -1.292 . . . . 59.090000000000003 107.511 169.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 -86.12 156.31 20.42 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 113.669 0.989 . . . . 67.239999999999995 113.669 -174.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.4 mt -136.66 -168.23 2.22 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 114.413 1.264 . . . . 66.400000000000006 114.413 179.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -121.76 131.78 54.26 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.811 1.041 . . . . 68.829999999999998 113.811 -174.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.0 p -67.92 -176.32 0.67 Allowed 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.638 0.977 . . . . 67.599999999999994 113.638 -178.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.466 0.328 0 CA-C-N 116.174 -0.467 . . . . 69.450000000000003 111.463 175.256 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 . . . . . 0 C--O 1.236 0.385 0 CA-C-O 120.816 0.341 . . . . 64.920000000000002 111.435 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.07 154.16 49.71 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.48 0.712 . . . . 88.319999999999993 109.617 -179.658 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -127.7 140.87 51.81 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 112.702 0.63 . . . . 55.619999999999997 112.702 -176.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -132.93 128.6 36.84 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 115.723 1.749 . . . . 55.32 115.723 -168.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -88.36 145.68 25.68 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 109.268 -0.642 . . . . 55.049999999999997 109.268 161.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -156.09 155.67 33.0 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.188 -0.605 . . . . 61.740000000000002 110.894 177.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 50.3 t -128.4 123.18 59.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 105.79 -1.93 . . . . 55.939999999999998 105.79 172.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.8 t -113.23 130.73 66.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.528 -0.916 . . . . 58.350000000000001 108.528 175.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.7 p -124.85 156.48 68.66 Favored Pre-proline 0 N--CA 1.468 0.439 0 C-N-CA 119.612 -0.835 . . . . 55.729999999999997 112.548 173.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.71 161.23 39.82 Favored 'Trans proline' 0 CA--C 1.543 0.938 0 O-C-N 122.57 0.773 . . . . 55.259999999999998 112.537 171.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ARG . . . . . 0.539 ' NH2' ' O ' ' A' ' 31' ' ' LEU . 16.0 ttm180 -120.42 118.47 30.41 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 106.583 -1.636 . . . . 60.740000000000002 106.583 173.132 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -100.6 144.96 28.96 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 123.916 0.76 . . . . 77.540000000000006 112.08 -179.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 -82.4 176.17 9.64 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 106.886 -1.524 . . . . 54.82 106.886 174.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.86 -31.25 64.63 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.387 0.613 . . . . 52.210000000000001 112.313 176.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 24.9 p-10 -80.27 -4.36 52.97 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 113.163 0.801 . . . . 55.759999999999998 113.163 -179.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 90.91 -1.55 78.17 Favored Glycine 0 N--CA 1.464 0.527 0 N-CA-C 114.403 0.521 . . . . 55.780000000000001 114.403 176.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.4 p -82.3 158.28 23.5 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.556 -0.535 . . . . 57.369999999999997 109.556 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 58.8 mt -96.5 120.54 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.423 0.63 . . . . 55.399999999999999 111.419 -174.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -94.14 -20.84 19.52 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.574 -0.739 . . . . 67.340000000000003 112.932 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 175.21 -171.06 44.24 Favored Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 115.044 0.778 . . . . 54.979999999999997 115.044 -175.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 3.9 m -132.6 160.82 42.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 108.433 -0.951 . . . . 54.700000000000003 108.433 178.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -142.84 156.89 45.02 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 106.382 -1.71 . . . . 59.039999999999999 106.382 173.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.9 mp -134.9 154.86 51.51 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.19 -0.67 . . . . 58.329999999999998 109.19 -172.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 7.5 tt -120.09 130.41 74.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 107.236 -1.394 . . . . 55.960000000000001 107.236 158.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 63.2 t -119.28 140.78 42.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 109.035 -0.728 . . . . 54.859999999999999 109.035 -176.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -128.81 129.83 46.15 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.861 -0.609 . . . . 67.590000000000003 109.564 177.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -84.89 115.68 22.91 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 109.087 -0.708 . . . . 58.32 109.087 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 33.1 m -120.37 24.78 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.163 0.985 . . . . 52.579999999999998 110.832 -172.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 32.3 m -56.73 -39.17 73.44 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.0 0.92 . . . . 55.909999999999997 112.681 179.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.9 m -58.71 -41.23 85.84 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 112.783 0.66 . . . . 60.759999999999998 112.783 177.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -63.39 -45.29 91.74 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 109.49 -0.559 . . . . 68.450000000000003 109.49 177.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 30.4 t -75.18 -55.34 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 113.515 0.931 . . . . 67.370000000000005 113.515 -178.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -52.4 -22.24 4.48 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 117.701 0.228 . . . . 79.959999999999994 111.546 177.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.27 37.66 0.07 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.93 -0.577 . . . . 73.879999999999995 111.217 168.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.9 29.73 3.31 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.76 -0.654 . . . . 80.439999999999998 109.866 166.372 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.63 0 C-N-CA 124.837 1.255 . . . . 76.200000000000003 114.171 176.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' MSE . . . . . . . . . . . . . 65.8 ttp . . . . . 0 N--CA 1.499 1.986 0 N-CA-C 111.622 0.231 . . . . 62.380000000000003 111.622 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -83.21 105.12 13.92 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 106.436 -1.69 . . . . 63.539999999999999 106.436 171.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -59.08 -41.79 88.86 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.574 1.324 . . . . 55.729999999999997 114.574 -175.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -59.34 -35.81 74.55 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.159 0.429 . . . . 56.350000000000001 112.159 178.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -88.35 -29.16 20.5 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.555 0.946 . . . . 57.789999999999999 113.555 -176.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.6 p -104.15 -32.02 9.36 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 113.274 0.842 . . . . 56.829999999999998 113.274 -172.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.8 t -102.21 -51.58 9.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 108.424 -0.954 . . . . 53.670000000000002 108.424 176.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.59 163.78 9.79 Favored Glycine 0 C--N 1.334 0.449 0 N-CA-C 110.016 -1.234 . . . . 56.130000000000003 110.016 -175.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.45 144.2 54.77 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 108.737 -0.838 . . . . 57.539999999999999 108.737 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.47 -42.81 83.32 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.271 0.471 . . . . 58.0 112.271 -167.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -62.67 -40.33 96.72 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.831 0.678 . . . . 61.140000000000001 112.831 179.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -70.29 -45.71 65.77 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.077 -0.965 . . . . 63.420000000000002 108.836 -176.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.0 t -60.21 -43.82 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.05 0 O-C-N 123.926 0.766 . . . . 57.719999999999999 111.751 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -57.43 -45.58 84.52 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 119.372 -0.347 . . . . 57.43 111.838 176.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.2 ttp-105 -60.02 -38.54 83.01 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.634 0.374 . . . . 58.490000000000002 111.786 178.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.2 mm -69.62 -48.84 63.35 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 CA-C-O 119.503 -0.284 . . . . 58.359999999999999 110.918 176.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -47.8 -55.72 9.05 Favored 'General case' 0 C--O 1.243 0.736 0 C-N-CA 123.133 0.573 . . . . 56.649999999999999 111.476 173.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -44.62 -37.47 3.65 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.239 0.829 . . . . 58.539999999999999 113.239 176.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -101.98 -2.33 29.92 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 115.069 1.507 . . . . 57.640000000000001 115.069 -171.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.4 mm -56.62 132.94 77.85 Favored Pre-proline 0 C--O 1.241 0.635 0 C-N-CA 119.996 -0.682 . . . . 57.119999999999997 109.452 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -82.48 65.87 8.19 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 116.323 -1.984 . . . . 56.75 112.457 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -166.56 147.59 6.22 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.254 -1.387 . . . . 55.880000000000003 107.254 174.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.1 mt -68.5 117.9 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 109.414 -0.587 . . . . 54.359999999999999 109.414 177.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.44 136.71 53.0 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.278 -0.874 . . . . 54.579999999999998 108.851 -176.291 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -149.21 138.54 15.62 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.515 0 CA-C-N 116.045 -0.525 . . . . 56.549999999999997 110.86 179.148 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -119.57 139.28 13.94 Favored Glycine 0 C--N 1.338 0.663 0 N-CA-C 109.105 -1.598 . . . . 54.460000000000001 109.105 177.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.9 mt -126.43 154.37 43.75 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.91 0.355 . . . . 52.700000000000003 110.201 -179.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -133.58 143.43 48.67 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.597 -0.441 . . . . 73.359999999999999 110.838 -179.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.16 174.94 46.31 Favored Glycine 0 C--N 1.331 0.256 0 CA-C-N 116.083 -0.508 . . . . 54.609999999999999 113.803 172.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -63.77 -32.68 67.36 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 120.732 0.954 . . . . 56.25 113.939 179.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -86.72 10.97 14.14 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.909 1.078 . . . . 57.240000000000002 113.909 -178.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 49.76 58.23 5.66 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.235 1.014 . . . . 51.719999999999999 113.187 176.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -77.13 135.63 38.57 Favored 'General case' 0 CA--C 1.496 -1.127 0 N-CA-C 107.672 -1.233 . . . . 54.549999999999997 107.672 -179.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -65.0 128.84 37.44 Favored 'General case' 0 CA--C 1.512 -0.519 0 O-C-N 123.925 0.766 . . . . 53.340000000000003 110.334 178.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.6 m -120.73 -22.5 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 113.837 1.051 . . . . 56.090000000000003 113.837 174.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -153.31 126.98 8.77 Favored 'General case' 0 CA--C 1.505 -0.786 0 N-CA-C 108.829 -0.804 . . . . 54.149999999999999 108.829 -178.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.0 m -141.28 144.42 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 O-C-N 123.925 0.765 . . . . 54.649999999999999 110.139 170.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.2 p-10 -105.7 -178.57 3.69 Favored 'General case' 0 N--CA 1.424 -1.736 0 C-N-CA 119.735 -0.786 . . . . 52.32 111.9 -176.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.29 -35.97 82.64 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 112.942 0.719 . . . . 50.609999999999999 112.942 -177.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.09 79.82 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 108.783 -0.821 . . . . 51.5 108.783 178.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -61.56 -52.41 64.54 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 120.18 -0.608 . . . . 57.490000000000002 112.015 173.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.9 mtm-85 -67.29 -19.26 65.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.037 0.384 . . . . 54.890000000000001 112.037 -174.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.82 -31.53 29.21 Favored Glycine 0 N--CA 1.466 0.634 0 N-CA-C 110.692 -0.963 . . . . 59.210000000000001 110.692 174.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.31 -40.81 73.98 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.14 0.976 . . . . 66.340000000000003 111.395 176.21 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.9 t -127.25 86.95 57.55 Favored Pre-proline 0 C--O 1.238 0.469 0 CA-C-N 116.076 -0.511 . . . . 67.329999999999998 109.854 173.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -71.7 -21.04 25.8 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 123.454 2.769 . . . . 70.319999999999993 115.011 -177.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.7 mt -74.52 90.28 2.22 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-O 121.026 0.441 . . . . 73.670000000000002 109.887 177.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 pp -157.09 143.14 17.87 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 117.755 2.502 . . . . 75.299999999999997 117.755 -166.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . 0.348 0.2 OUTLIER -153.07 91.11 1.5 Allowed 'General case' 0 C--O 1.24 0.596 0 CA-C-N 113.686 -1.597 . . . . 80.239999999999995 110.568 127.539 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . 0.467 HG22 HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -94.87 -31.53 13.66 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 111.6 -2.546 . . . . 71.829999999999998 115.253 -145.501 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 91.2 t -61.94 124.52 16.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 O-C-N 123.503 0.502 . . . . 68.689999999999998 111.276 -170.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.02 -15.96 43.31 Favored Glycine 0 CA--C 1.521 0.434 0 CA-C-N 115.574 -0.739 . . . . 65.349999999999994 114.425 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -104.71 146.27 32.3 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 113.02 0.748 . . . . 68.840000000000003 113.02 -170.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -63.59 141.85 81.61 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 120.984 1.123 . . . . 61.509999999999998 110.855 174.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.44 -42.22 77.74 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 112.705 0.631 . . . . 61.259999999999998 112.705 -178.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -57.37 -37.36 72.5 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.297 0.851 . . . . 66.829999999999998 113.297 174.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -73.02 -28.11 62.16 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.945 1.091 . . . . 63.659999999999997 113.945 -175.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' VAL . . . . . 0.467 HG11 HG22 ' A' ' 54' ' ' THR . 7.7 p -97.25 -28.04 3.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 120.564 0.221 . . . . 63.450000000000003 111.508 179.472 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' TYR . . . . . 0.669 ' HB3' HD23 ' A' ' 66' ' ' LEU . 55.5 m-85 -120.49 76.77 26.54 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 116.478 -0.328 . . . . 63.560000000000002 111.689 173.516 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -70.96 -17.63 31.98 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 121.179 1.253 . . . . 64.640000000000001 113.977 -175.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.49 -11.72 55.6 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.934 0.716 . . . . 67.430000000000007 112.934 -173.258 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LEU . . . . . 0.669 HD23 ' HB3' ' A' ' 63' ' ' TYR . 3.9 mm? -91.32 15.33 12.28 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 114.793 1.405 . . . . 67.590000000000003 114.793 -173.255 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.59 -42.78 86.42 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.516 0.562 . . . . 66.859999999999999 112.516 -179.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.23 -35.75 88.74 Favored Glycine 0 N--CA 1.464 0.5 0 N-CA-C 115.231 0.852 . . . . 66.349999999999994 115.231 -179.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -67.19 -20.4 65.71 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 122.981 0.512 . . . . 67.930000000000007 111.964 -178.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLN . . . . . 0.603 ' HA ' ' OE1' ' A' ' 70' ' ' GLN 0.262 6.5 mm100 48.38 50.22 16.94 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 116.236 1.939 . . . . 65.060000000000002 116.236 -175.512 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 12.1 mt -67.94 -30.7 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 N-CA-C 106.197 -1.779 . . . . 67.469999999999999 106.197 160.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -71.98 -28.73 63.61 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.656 1.354 . . . . 63.770000000000003 114.656 -178.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.95 -43.67 95.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.132 0.491 . . . . 62.18 109.829 174.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' MSE . . . . . 0.414 'SE ' HG21 ' A' ' 110' ' ' VAL . 16.2 tmm? -70.2 -38.46 75.33 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 114.821 -1.081 . . . . 67.290000000000006 111.641 -177.896 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 70.4 mt -66.07 -39.76 90.32 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 112.287 0.476 . . . . 55.759999999999998 112.287 175.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ASP . . . . . 0.422 ' O ' ' HG3' ' A' ' 80' ' ' GLN . 87.5 m-20 -64.2 -44.42 92.01 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.228 0.611 . . . . 58.189999999999998 111.787 176.786 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -56.69 -46.54 81.11 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 111.714 0.264 . . . . 76.0 111.714 175.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.14 -41.87 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-O 121.113 0.483 . . . . 52.350000000000001 111.807 178.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -70.89 -41.32 71.47 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.958 -0.565 . . . . 56.030000000000001 110.918 -179.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 76' ' ' ASP . 81.8 mt-30 -73.19 -42.14 63.03 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.279 0.844 . . . . 60.270000000000003 113.279 -178.51 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.1 p -99.59 -25.84 14.28 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 114.131 1.16 . . . . 56.189999999999998 114.131 -168.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.47 -2.03 79.55 Favored Glycine 0 CA--C 1.523 0.538 0 C-N-CA 120.824 -0.703 . . . . 55.399999999999999 114.474 -171.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -79.71 122.4 83.5 Favored Pre-proline 0 C--O 1.219 -0.525 0 N-CA-C 109.687 -0.486 . . . . 64.319999999999993 109.687 177.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -69.05 148.32 69.41 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 121.235 1.29 . . . . 57.289999999999999 110.677 176.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -124.79 140.25 53.1 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.253 0.549 . . . . 72.430000000000007 112.232 171.62 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.9 m -117.12 143.48 45.76 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 124.726 1.211 . . . . 63.859999999999999 108.109 172.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.52 153.43 21.02 Favored Glycine 0 CA--C 1.504 -0.6 0 N-CA-C 109.574 -1.41 . . . . 57.549999999999997 109.574 178.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.44 133.71 54.61 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 109.464 -0.569 . . . . 58.829999999999998 109.464 175.946 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 54.66 42.54 31.18 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.042 0.756 . . . . 56.140000000000001 113.042 166.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -72.44 123.63 23.49 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 107.511 -1.292 . . . . 59.090000000000003 107.511 169.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' A' ' 104' ' ' ARG . 3.6 ptt85 -86.12 156.31 20.42 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 113.669 0.989 . . . . 67.239999999999995 113.669 -174.635 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.4 mt -136.66 -168.23 2.22 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 114.413 1.264 . . . . 66.400000000000006 114.413 179.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -121.76 131.78 54.26 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.811 1.041 . . . . 68.829999999999998 113.811 -174.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.0 p -67.92 -176.32 0.67 Allowed 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.638 0.977 . . . . 67.599999999999994 113.638 -178.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.466 0.328 0 CA-C-N 116.174 -0.467 . . . . 69.450000000000003 111.463 175.256 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 . . . . . 0 C--O 1.236 0.385 0 CA-C-O 120.816 0.341 . . . . 64.920000000000002 111.435 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ARG . . . . . 0.474 HH11 ' CG ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -132.07 154.16 49.71 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.48 0.712 . . . . 88.319999999999993 109.617 -179.658 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -127.7 140.87 51.81 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 112.702 0.63 . . . . 55.619999999999997 112.702 -176.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -132.93 128.6 36.84 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 115.723 1.749 . . . . 55.32 115.723 -168.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -88.36 145.68 25.68 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 109.268 -0.642 . . . . 55.049999999999997 109.268 161.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -156.09 155.67 33.0 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.188 -0.605 . . . . 61.740000000000002 110.894 177.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 50.3 t -128.4 123.18 59.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 105.79 -1.93 . . . . 55.939999999999998 105.79 172.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' VAL . . . . . 0.467 HG22 ' HG ' ' A' ' 125' ' ' LEU . 13.8 t -113.23 130.73 66.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.528 -0.916 . . . . 58.350000000000001 108.528 175.559 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.7 p -124.85 156.48 68.66 Favored Pre-proline 0 N--CA 1.468 0.439 0 C-N-CA 119.612 -0.835 . . . . 55.729999999999997 112.548 173.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.71 161.23 39.82 Favored 'Trans proline' 0 CA--C 1.543 0.938 0 O-C-N 122.57 0.773 . . . . 55.259999999999998 112.537 171.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -120.42 118.47 30.41 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 106.583 -1.636 . . . . 60.740000000000002 106.583 173.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -100.6 144.96 28.96 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 123.916 0.76 . . . . 77.540000000000006 112.08 -179.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 -82.4 176.17 9.64 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 106.886 -1.524 . . . . 57.399999999999999 106.886 174.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.86 -31.25 64.63 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.387 0.613 . . . . 52.210000000000001 112.313 176.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 24.9 p-10 -80.27 -4.36 52.97 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 113.163 0.801 . . . . 55.759999999999998 113.163 -179.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 90.91 -1.55 78.17 Favored Glycine 0 N--CA 1.464 0.527 0 N-CA-C 114.403 0.521 . . . . 55.780000000000001 114.403 176.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.4 p -82.3 158.28 23.5 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.556 -0.535 . . . . 57.369999999999997 109.556 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 58.8 mt -96.5 120.54 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.423 0.63 . . . . 55.399999999999999 111.419 -174.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -94.14 -20.84 19.52 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.574 -0.739 . . . . 67.340000000000003 112.932 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 175.21 -171.06 44.24 Favored Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 115.044 0.778 . . . . 54.979999999999997 115.044 -175.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 3.9 m -132.6 160.82 42.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 108.433 -0.951 . . . . 54.700000000000003 108.433 178.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -142.84 156.89 45.02 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 106.382 -1.71 . . . . 59.039999999999999 106.382 173.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' LEU . . . . . 0.467 ' HG ' HG22 ' A' ' 110' ' ' VAL . 4.9 mp -134.9 154.86 51.51 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.19 -0.67 . . . . 58.329999999999998 109.19 -172.38 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 7.5 tt -120.09 130.41 74.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 107.236 -1.394 . . . . 55.960000000000001 107.236 158.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 63.2 t -119.28 140.78 42.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 109.035 -0.728 . . . . 54.859999999999999 109.035 -176.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -128.81 129.83 46.15 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.861 -0.609 . . . . 67.590000000000003 109.564 177.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -84.89 115.68 22.91 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 109.087 -0.708 . . . . 58.32 109.087 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 33.1 m -120.37 24.78 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.163 0.985 . . . . 52.579999999999998 110.832 -172.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 32.3 m -56.73 -39.17 73.44 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.0 0.92 . . . . 55.909999999999997 112.681 179.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.9 m -58.71 -41.23 85.84 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 112.783 0.66 . . . . 60.759999999999998 112.783 177.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -63.39 -45.29 91.74 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 109.49 -0.559 . . . . 68.450000000000003 109.49 177.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 30.4 t -75.18 -55.34 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 113.515 0.931 . . . . 67.370000000000005 113.515 -178.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' ARG . . . . . 0.433 ' C ' ' H ' ' A' ' 137' ' ' ARG . 71.0 mtt180 -52.4 -22.24 4.48 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 117.701 0.228 . . . . 79.959999999999994 111.546 177.326 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.27 37.66 0.07 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.93 -0.577 . . . . 73.879999999999995 111.217 168.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' ARG . . . . . 0.433 ' H ' ' C ' ' A' ' 135' ' ' ARG . 0.1 OUTLIER -97.9 29.73 3.31 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.76 -0.654 . . . . 80.439999999999998 109.866 166.372 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.63 0 C-N-CA 124.837 1.255 . . . . 76.200000000000003 114.171 176.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' MSE . . . . . . . . . . . . . 65.8 ttp . . . . . 0 N--CA 1.499 1.986 0 N-CA-C 111.622 0.231 . . . . 62.38 111.622 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -83.21 105.12 13.92 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 106.436 -1.69 . . . . 63.54 106.436 171.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -59.08 -41.79 88.86 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.574 1.324 . . . . 55.73 114.574 -175.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -59.34 -35.81 74.55 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.159 0.429 . . . . 56.35 112.159 178.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -88.35 -29.16 20.5 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.555 0.946 . . . . 57.79 113.555 -176.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.6 p -104.15 -32.02 9.36 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 113.274 0.842 . . . . 56.83 113.274 -172.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.8 t -102.21 -51.58 9.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 108.424 -0.954 . . . . 53.67 108.424 176.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.59 163.78 9.79 Favored Glycine 0 C--N 1.334 0.449 0 N-CA-C 110.016 -1.234 . . . . 56.13 110.016 -175.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.45 144.2 54.77 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 108.737 -0.838 . . . . 57.54 108.737 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.47 -42.81 83.32 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.271 0.471 . . . . 58.0 112.271 -167.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -62.67 -40.33 96.72 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.831 0.678 . . . . 61.14 112.831 179.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -70.29 -45.71 65.77 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.077 -0.965 . . . . 63.42 108.836 -176.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.0 t -60.21 -43.82 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.05 0 O-C-N 123.926 0.766 . . . . 57.72 111.751 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -57.43 -45.58 84.52 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 119.372 -0.347 . . . . 57.43 111.838 176.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.2 ttp-105 -60.02 -38.54 83.01 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.634 0.374 . . . . 58.49 111.786 178.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.2 mm -69.62 -48.84 63.35 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 CA-C-O 119.503 -0.284 . . . . 58.36 110.918 176.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -47.8 -55.72 9.05 Favored 'General case' 0 C--O 1.243 0.736 0 C-N-CA 123.133 0.573 . . . . 56.65 111.476 173.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -44.62 -37.47 3.65 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.239 0.829 . . . . 58.54 113.239 176.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -101.98 -2.33 29.92 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 115.069 1.507 . . . . 57.64 115.069 -171.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.4 mm -56.62 132.94 77.85 Favored Pre-proline 0 C--O 1.241 0.635 0 C-N-CA 119.996 -0.682 . . . . 57.12 109.452 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -82.48 65.87 8.19 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 116.323 -1.984 . . . . 56.75 112.457 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -166.56 147.59 6.22 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.254 -1.387 . . . . 55.88 107.254 174.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.1 mt -68.5 117.9 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 109.414 -0.587 . . . . 54.36 109.414 177.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.44 136.71 53.0 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.278 -0.874 . . . . 54.58 108.851 -176.291 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -149.21 138.54 15.62 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.515 0 CA-C-N 116.045 -0.525 . . . . 56.55 110.86 179.148 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -119.57 139.28 13.94 Favored Glycine 0 C--N 1.338 0.663 0 N-CA-C 109.105 -1.598 . . . . 54.46 109.105 177.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.9 mt -126.43 154.37 43.75 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.91 0.355 . . . . 52.7 110.201 -179.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -133.58 143.43 48.67 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.597 -0.441 . . . . 73.36 110.838 -179.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.16 174.94 46.31 Favored Glycine 0 C--N 1.331 0.256 0 CA-C-N 116.083 -0.508 . . . . 54.61 113.803 172.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -63.77 -32.68 67.36 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 120.732 0.954 . . . . 56.25 113.939 179.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -86.72 10.97 14.14 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.909 1.078 . . . . 57.24 113.909 -178.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 49.76 58.23 5.66 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.235 1.014 . . . . 51.72 113.187 176.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -77.13 135.63 38.57 Favored 'General case' 0 CA--C 1.496 -1.127 0 N-CA-C 107.672 -1.233 . . . . 54.55 107.672 -179.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -65.0 128.84 37.44 Favored 'General case' 0 CA--C 1.512 -0.519 0 O-C-N 123.925 0.766 . . . . 53.34 110.334 178.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.6 m -120.73 -22.5 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 113.837 1.051 . . . . 56.09 113.837 174.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -153.31 126.98 8.77 Favored 'General case' 0 CA--C 1.505 -0.786 0 N-CA-C 108.829 -0.804 . . . . 54.15 108.829 -178.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.0 m -141.28 144.42 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 O-C-N 123.925 0.765 . . . . 54.65 110.139 170.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.2 p-10 -105.7 -178.57 3.69 Favored 'General case' 0 N--CA 1.424 -1.736 0 C-N-CA 119.735 -0.786 . . . . 52.32 111.9 -176.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.29 -35.97 82.64 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 112.942 0.719 . . . . 50.61 112.942 -177.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.09 79.82 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 108.783 -0.821 . . . . 51.5 108.783 178.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -61.56 -52.41 64.54 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 120.18 -0.608 . . . . 57.49 112.015 173.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.9 mtm-85 -67.29 -19.26 65.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.037 0.384 . . . . 54.89 112.037 -174.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.82 -31.53 29.21 Favored Glycine 0 N--CA 1.466 0.634 0 N-CA-C 110.692 -0.963 . . . . 59.21 110.692 174.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.31 -40.81 73.98 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.14 0.976 . . . . 66.34 111.395 176.21 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.9 t -127.25 86.95 57.55 Favored Pre-proline 0 C--O 1.238 0.469 0 CA-C-N 116.076 -0.511 . . . . 67.33 109.854 173.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -71.7 -21.04 25.8 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 123.454 2.769 . . . . 70.32 115.011 -177.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.7 mt -74.52 90.28 2.22 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-O 121.026 0.441 . . . . 73.67 109.887 177.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 pp -157.09 143.14 17.87 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 117.755 2.502 . . . . 75.3 117.755 -166.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . 0.348 0.2 OUTLIER -153.07 91.11 1.5 Allowed 'General case' 0 C--O 1.24 0.596 0 CA-C-N 113.686 -1.597 . . . . 80.24 110.568 127.539 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . 0.467 HG22 HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -94.87 -31.53 13.66 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 111.6 -2.546 . . . . 71.83 115.253 -145.501 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 91.2 t -61.94 124.52 16.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 O-C-N 123.503 0.502 . . . . 68.69 111.276 -170.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.02 -15.96 43.31 Favored Glycine 0 CA--C 1.521 0.434 0 CA-C-N 115.574 -0.739 . . . . 65.35 114.425 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -104.71 146.27 32.3 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 113.02 0.748 . . . . 68.84 113.02 -170.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -63.59 141.85 81.61 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 120.984 1.123 . . . . 61.51 110.855 174.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.44 -42.22 77.74 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 112.705 0.631 . . . . 61.26 112.705 -178.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -57.37 -37.36 72.5 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.297 0.851 . . . . 66.83 113.297 174.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -73.02 -28.11 62.16 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.945 1.091 . . . . 63.66 113.945 -175.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.467 HG11 HG22 ' A' ' 54' ' ' THR . 7.7 p -97.25 -28.04 3.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 120.564 0.221 . . . . 63.45 111.508 179.472 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.669 ' HB3' HD23 ' A' ' 66' ' ' LEU . 55.5 m-85 -120.49 76.77 26.54 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 116.478 -0.328 . . . . 63.56 111.689 173.516 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -70.96 -17.63 31.98 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 121.179 1.253 . . . . 64.64 113.977 -175.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.49 -11.72 55.6 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.934 0.716 . . . . 67.43 112.934 -173.258 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.669 HD23 ' HB3' ' A' ' 63' ' ' TYR . 3.9 mm? -91.32 15.33 12.28 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 114.793 1.405 . . . . 67.59 114.793 -173.255 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.59 -42.78 86.42 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.516 0.562 . . . . 66.86 112.516 -179.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.23 -35.75 88.74 Favored Glycine 0 N--CA 1.464 0.5 0 N-CA-C 115.231 0.852 . . . . 66.35 115.231 -179.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -67.19 -20.4 65.71 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 122.981 0.512 . . . . 67.93 111.964 -178.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.796 HE21 ' HA ' ' A' ' 70' ' ' GLN 0.262 0.7 OUTLIER 48.38 50.22 16.94 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 116.236 1.939 . . . . 65.06 116.236 -175.512 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 12.1 mt -67.94 -30.7 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 N-CA-C 106.197 -1.779 . . . . 67.47 106.197 160.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -71.98 -28.73 63.61 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.656 1.354 . . . . 63.77 114.656 -178.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.95 -43.67 95.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.132 0.491 . . . . 62.18 109.829 174.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' MSE . . . . . 0.414 'SE ' HG21 ' A' ' 110' ' ' VAL . 16.2 tmm? -70.2 -38.46 75.33 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 114.821 -1.081 . . . . 67.29 111.641 -177.896 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 70.4 mt -66.07 -39.76 90.32 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 112.287 0.476 . . . . 55.76 112.287 175.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.422 ' O ' ' HG3' ' A' ' 80' ' ' GLN . 87.5 m-20 -64.2 -44.42 92.01 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.228 0.611 . . . . 58.19 111.787 176.786 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -56.69 -46.54 81.11 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 111.714 0.264 . . . . 76.0 111.714 175.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.14 -41.87 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-O 121.113 0.483 . . . . 52.35 111.807 178.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -70.89 -41.32 71.47 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.958 -0.565 . . . . 56.03 110.918 -179.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 76' ' ' ASP . 81.8 mt-30 -73.19 -42.14 63.03 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.279 0.844 . . . . 60.27 113.279 -178.51 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.1 p -99.59 -25.84 14.28 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 114.131 1.16 . . . . 56.19 114.131 -168.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.47 -2.03 79.55 Favored Glycine 0 CA--C 1.523 0.538 0 C-N-CA 120.824 -0.703 . . . . 55.4 114.474 -171.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -79.71 122.4 83.5 Favored Pre-proline 0 C--O 1.219 -0.525 0 N-CA-C 109.687 -0.486 . . . . 64.32 109.687 177.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -69.05 148.32 69.41 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 121.235 1.29 . . . . 57.29 110.677 176.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -124.79 140.25 53.1 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.253 0.549 . . . . 72.43 112.232 171.62 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.9 m -117.12 143.48 45.76 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 124.726 1.211 . . . . 63.86 108.109 172.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.52 153.43 21.02 Favored Glycine 0 CA--C 1.504 -0.6 0 N-CA-C 109.574 -1.41 . . . . 57.55 109.574 178.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.44 133.71 54.61 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 109.464 -0.569 . . . . 58.83 109.464 175.946 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 54.66 42.54 31.18 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.042 0.756 . . . . 56.14 113.042 166.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -72.44 123.63 23.49 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 107.511 -1.292 . . . . 59.09 107.511 169.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' A' ' 104' ' ' ARG . 3.6 ptt85 -86.12 156.31 20.42 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 113.669 0.989 . . . . 67.24 113.669 -174.635 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.4 mt -136.66 -168.23 2.22 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 114.413 1.264 . . . . 66.4 114.413 179.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -121.76 131.78 54.26 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.811 1.041 . . . . 68.83 113.811 -174.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.0 p -67.92 -176.32 0.67 Allowed 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.638 0.977 . . . . 67.6 113.638 -178.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.466 0.328 0 CA-C-N 116.174 -0.467 . . . . 69.45 111.463 175.256 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 . . . . . 0 C--O 1.236 0.385 0 CA-C-O 120.816 0.341 . . . . 64.92 111.435 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.474 HH11 ' CG ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -132.07 154.16 49.71 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.48 0.712 . . . . 88.32 109.617 -179.658 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -127.7 140.87 51.81 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 112.702 0.63 . . . . 55.62 112.702 -176.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -132.93 128.6 36.84 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 115.723 1.749 . . . . 55.32 115.723 -168.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -88.36 145.68 25.68 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 109.268 -0.642 . . . . 55.05 109.268 161.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -156.09 155.67 33.0 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.188 -0.605 . . . . 61.74 110.894 177.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 50.3 t -128.4 123.18 59.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 105.79 -1.93 . . . . 55.94 105.79 172.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.467 HG22 ' HG ' ' A' ' 125' ' ' LEU . 13.8 t -113.23 130.73 66.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.528 -0.916 . . . . 58.35 108.528 175.559 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.7 p -124.85 156.48 68.66 Favored Pre-proline 0 N--CA 1.468 0.439 0 C-N-CA 119.612 -0.835 . . . . 55.73 112.548 173.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.71 161.23 39.82 Favored 'Trans proline' 0 CA--C 1.543 0.938 0 O-C-N 122.57 0.773 . . . . 55.26 112.537 171.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -120.42 118.47 30.41 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 106.583 -1.636 . . . . 60.74 106.583 173.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -100.6 144.96 28.96 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 123.916 0.76 . . . . 77.54 112.08 -179.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 -82.4 176.17 9.64 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 106.886 -1.524 . . . . 57.4 106.886 174.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.86 -31.25 64.63 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.387 0.613 . . . . 52.21 112.313 176.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 24.9 p-10 -80.27 -4.36 52.97 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 113.163 0.801 . . . . 55.76 113.163 -179.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 90.91 -1.55 78.17 Favored Glycine 0 N--CA 1.464 0.527 0 N-CA-C 114.403 0.521 . . . . 55.78 114.403 176.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.4 p -82.3 158.28 23.5 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.556 -0.535 . . . . 57.37 109.556 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 58.8 mt -96.5 120.54 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.423 0.63 . . . . 55.4 111.419 -174.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -94.14 -20.84 19.52 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.574 -0.739 . . . . 67.34 112.932 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 175.21 -171.06 44.24 Favored Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 115.044 0.778 . . . . 54.98 115.044 -175.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 3.9 m -132.6 160.82 42.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 108.433 -0.951 . . . . 54.7 108.433 178.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -142.84 156.89 45.02 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 106.382 -1.71 . . . . 59.04 106.382 173.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.467 ' HG ' HG22 ' A' ' 110' ' ' VAL . 4.9 mp -134.9 154.86 51.51 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.19 -0.67 . . . . 58.33 109.19 -172.38 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 7.5 tt -120.09 130.41 74.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 107.236 -1.394 . . . . 55.96 107.236 158.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 63.2 t -119.28 140.78 42.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 109.035 -0.728 . . . . 54.86 109.035 -176.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -128.81 129.83 46.15 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.861 -0.609 . . . . 67.59 109.564 177.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -84.89 115.68 22.91 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 109.087 -0.708 . . . . 58.32 109.087 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 33.1 m -120.37 24.78 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.163 0.985 . . . . 52.58 110.832 -172.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 32.3 m -56.73 -39.17 73.44 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.0 0.92 . . . . 55.91 112.681 179.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.9 m -58.71 -41.23 85.84 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 112.783 0.66 . . . . 60.76 112.783 177.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -63.39 -45.29 91.74 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 109.49 -0.559 . . . . 68.45 109.49 177.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 30.4 t -75.18 -55.34 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 113.515 0.931 . . . . 67.37 113.515 -178.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.433 ' C ' ' H ' ' A' ' 137' ' ' ARG . 71.0 mtt180 -52.4 -22.24 4.48 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 117.701 0.228 . . . . 79.96 111.546 177.326 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.27 37.66 0.07 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.93 -0.577 . . . . 73.88 111.217 168.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.433 ' H ' ' C ' ' A' ' 135' ' ' ARG . 0.1 OUTLIER -97.9 29.73 3.31 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.76 -0.654 . . . . 80.44 109.866 166.372 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.63 0 C-N-CA 124.837 1.255 . . . . 76.2 114.171 176.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_